N-(2,3-dichlorophenyl)-N',N'-diethyl-2,2-dimethylpropanediamide

C15H20Cl2N2O2 — CID 108965784

IUPACN-(2,3-dichlorophenyl)-N',N'-diethyl-2,2-dimethylpropanediamide
SMILESCCN(CC)C(=O)C(C)(C)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C15H20Cl2N2O2/c1-5-19(6-2)14(21)15(3,4)13(20)18-11-9-7-8-10(16)12(11)17/h7-9H,5-6H2,1-4H3,(H,18,20)
InChIKeyPFMHUOVFEBLMQH-UHFFFAOYSA-N
MW331.24 g/mol
LogP3.83
Rot. Bonds5

About N-(2,3-dichlorophenyl)-N',N'-diethyl-2,2-dimethylpropanediamide

N-(2,3-dichlorophenyl)-N',N'-diethyl-2,2-dimethylpropanediamide (PubChem CID 108965784) has the molecular formula C15H20Cl2N2O2 and a molecular weight of 331.24 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-N',N'-diethyl-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-N',N'-diethyl-2,2-dimethylpropanediamide
PubChem CID108965784
Molecular FormulaC15H20Cl2N2O2
Molecular Weight331.24 g/mol
Exact Mass330.09
IUPAC NameN-(2,3-dichlorophenyl)-N',N'-diethyl-2,2-dimethylpropanediamide
SMILESCCN(CC)C(=O)C(C)(C)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C15H20Cl2N2O2/c1-5-19(6-2)14(21)15(3,4)13(20)18-11-9-7-8-10(16)12(11)17/h7-9H,5-6H2,1-4H3,(H,18,20)
InChIKeyPFMHUOVFEBLMQH-UHFFFAOYSA-N
XLogP3.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(2,3-dichlorophenyl)-1,1-diethylurea
CID 4098247
N-tert-butyl-N'-(2,3-dichlorophenyl)-2,2-dimethylpropanediamide
CID 108966056
3-amino-N-(2,3-dichlorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 76919749
N-(2,3-dichlorophenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide
CID 108958900
N-(2,3-dichlorophenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108967416
N-(2,3-dichlorophenyl)-2-[ethyl(2-methylprop-2-enyl)amino]acetamide
CID 86976724
2-[[2-(2,3-dichloroanilino)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid
CID 62821132
N-(1,3-benzodioxol-5-yl)-N'-(2,3-dichlorophenyl)-2,2-dimethylpropanediamide
CID 108970011
3-(2,3-dichlorophenyl)-1-ethyl-1-phenylurea
CID 108991555
N-benzyl-N-ethyl-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide
CID 108963266
1-(2,3-dichlorophenyl)-3-(2-ethylphenyl)urea
CID 108991483
N-(2,3-dichlorophenyl)-2-(N-ethylanilino)acetamide
CID 54808631

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-N',N'-diethyl-2,2-dimethylpropanediamide?
The IUPAC name of N-(2,3-dichlorophenyl)-N',N'-diethyl-2,2-dimethylpropanediamide (CID 108965784) is N-(2,3-dichlorophenyl)-N',N'-diethyl-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-N',N'-diethyl-2,2-dimethylpropanediamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-N',N'-diethyl-2,2-dimethylpropanediamide is CCN(CC)C(=O)C(C)(C)C(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of N-(2,3-dichlorophenyl)-N',N'-diethyl-2,2-dimethylpropanediamide?
The InChIKey is PFMHUOVFEBLMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O2/c1-5-19(6-2)14(21)15(3,4)13(20)18-11-9-7-8-10(16)12(11)17/h7-9H,5-6H2,1-4H3,(H,18,20).
What are the key properties of N-(2,3-dichlorophenyl)-N',N'-diethyl-2,2-dimethylpropanediamide?
N-(2,3-dichlorophenyl)-N',N'-diethyl-2,2-dimethylpropanediamide has a molecular weight of 331.24 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-N',N'-diethyl-2,2-dimethylpropanediamide is sourced from PubChem (CID 108965784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).